crocetin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 225
Total Number of Articles : 126
PubChem 5281232
Molecular Formula

C20H24O4

SMILES

C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)\C

InChI

InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+

synonyms
  • Crocetin
  • Transcrocetin
  • 27876-94-4
Click to show/hide the synonyms
Properties
Property Value
MW 328.4 g/mol
HBD 2
HBA 4
Rotatable Bond Count 8
Exact Mass 328.16745924 g/mol
Monoisotopic Mass 328.16745924 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 608
xlogp 5.4
Topological Polar Surface Area 74.6